3-(3-methylphenyl)-3-[[1-(prop-2-enylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methylphenyl)-3-[[1-(prop-2-enylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(allylcarbamoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propanoic acid CAS Name: 3-(3-methylphenyl)-3-[[oxo-[1-[oxo-(prop-2-enylamino)methyl]-3-thiophen-2-ylsulfonyl-1,3-diazinan-2-yl]methyl]amino]propanoic acid IUPAC Name: 3-(3-methylphenyl)-3-[[1-(prop-2-enylcarbamoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(allylcarbamoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carbonyl]amino]-3-(m-tolyl)propionic acid Formula: C23H28N4O6S2 MolecularWeight: 520.62162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)NCC=C

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C2N(CCCN2S(=O)(=O)C3=CC=CS3)C(=O)NCC=C

InChI

InChI=1S/C23H28N4O6S2/c1-3-10-24-23(31)26-11-6-12-27(35(32,33)20-9-5-13-34-20)22(26)21(30)25-18(15-19(28)29)17-8-4-7-16(2)14-17/h3-5,7-9,13-14,18,22H,1,6,10-12,15H2,2H3,(H,24,31)(H,25,30)(H,28,29)